methyl 6-azanyl-5-cyano-4-[4-ethoxy-3-(pyridin-2-ylmethylsulfanyl)phenyl]-2-propyl-4H-pyran-3-carboxylate

Systemtic Name: methyl 6-azanyl-5-cyano-4-[4-ethoxy-3-(pyridin-2-ylmethylsulfanyl)phenyl]-2-propyl-4H-pyran-3-carboxylate Openeye Name: methyl 6-amino-5-cyano-4-[4-ethoxy-3-(2-pyridylmethylsulfanyl)phenyl]-2-propyl-4H-pyran-3-carboxylate CAS Name: 6-amino-5-cyano-4-[4-ethoxy-3-(2-pyridinylmethylthio)phenyl]-2-propyl-4H-pyran-3-carboxylic acid methyl ester IUPAC Name: methyl 6-amino-5-cyano-4-[4-ethoxy-3-(pyridin-2-ylmethylsulfanyl)phenyl]-2-propyl-4H-pyran-3-carboxylate Traditional Name: 6-amino-5-cyano-4-[4-ethoxy-3-(2-pyridylmethylthio)phenyl]-2-propyl-4H-pyran-3-carboxylic acid methyl ester Formula: C25H27N3O4S MolecularWeight: 465.56458

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(C(=C(O1)N)C#N)C2=CC(=C(C=C2)OCC)SCC3=CC=CC=N3)C(=O)OC

Isomeric SMILES

CCCC1=C(C(C(=C(O1)N)C#N)C2=CC(=C(C=C2)OCC)SCC3=CC=CC=N3)C(=O)OC

InChI

InChI=1S/C25H27N3O4S/c1-4-8-20-23(25(29)30-3)22(18(14-26)24(27)32-20)16-10-11-19(31-5-2)21(13-16)33-15-17-9-6-7-12-28-17/h6-7,9-13,22H,4-5,8,15,27H2,1-3H3